methane;4-N-naphthalen-1-yl-1-N-[4-[4-[2-(N-naphthalen-1-ylanilino)-9H-acridin-10-yl]phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline

C130H98N6 — CID 160648870

About methane;4-N-naphthalen-1-yl-1-N-[4-[4-[2-(N-naphthalen-1-ylanilino)-9H-acridin-10-yl]phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline

methane;4-N-naphthalen-1-yl-1-N-[4-[4-[2-(N-naphthalen-1-ylanilino)-9H-acridin-10-yl]phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline (PubChem CID 160648870) has the molecular formula C130H98N6 and a molecular weight of 1744.26 g/mol. Its IUPAC name is methane;4-N-naphthalen-1-yl-1-N-[4-[4-[2-(N-naphthalen-1-ylanilino)-9H-acridin-10-yl]phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline.

Molecular Properties

• Compound Name: methane;4-N-naphthalen-1-yl-1-N-[4-[4-[2-(N-naphthalen-1-ylanilino)-9H-acridin-10-yl]phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
• PubChem CID: 160648870
• Molecular Formula: C130H98N6
• Molecular Weight: 1744.26 g/mol
• Exact Mass: 1742.79
• IUPAC Name: methane;4-N-naphthalen-1-yl-1-N-[4-[4-[2-(N-naphthalen-1-ylanilino)-9H-acridin-10-yl]phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
• SMILES: C.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1.c1ccc(N(c2ccc(-c3ccc(N4c5ccccc5Cc5cc(N(c6ccccc6)c6cccc7ccccc67)ccc54)cc3)cc2)c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)cc1
• InChI: InChI=1S/C69H50N4.C60H44N2.CH4/c1-4-23-56(24-5-1)70(60-42-44-61(45-43-60)71(57-25-6-2-7-26-57)68-32-16-21-52-18-10-13-29-64(52)68)59-38-34-50(35-39-59)51-36-40-62(41-37-51)73-66-31-15-12-20-54(66)48-55-49-63(46-47-67(55)73)72(58-27-8-3-9-28-58)69-33-17-22-53-19-11-14-30-65(53)69;1-5-13-45(14-6-1)49-21-33-55(34-22-49)61(56-35-23-50(24-36-56)46-15-7-2-8-16-46)59-41-29-53(30-42-59)54-31-43-60(44-32-54)62(57-37-25-51(26-38-57)47-17-9-3-10-18-47)58-39-27-52(28-40-58)48-19-11-4-12-20-48;/h1-47,49H,48H2;1-44H;1H4
• InChIKey: RKDPNVQFZHIUNT-UHFFFAOYSA-N
• XLogP: 37.04
• TPSA: 19.44 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 22
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1744.26
LogP ≤ 5	37.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methane;4-N-naphthalen-1-yl-1-N-[4-[4-[2-(N-naphthalen-1-ylanilino)-9H-acridin-10-yl]phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline?

The IUPAC name of methane;4-N-naphthalen-1-yl-1-N-[4-[4-[2-(N-naphthalen-1-ylanilino)-9H-acridin-10-yl]phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline (CID 160648870) is methane;4-N-naphthalen-1-yl-1-N-[4-[4-[2-(N-naphthalen-1-ylanilino)-9H-acridin-10-yl]phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline.

What is the SMILES notation for methane;4-N-naphthalen-1-yl-1-N-[4-[4-[2-(N-naphthalen-1-ylanilino)-9H-acridin-10-yl]phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline?

The canonical SMILES for methane;4-N-naphthalen-1-yl-1-N-[4-[4-[2-(N-naphthalen-1-ylanilino)-9H-acridin-10-yl]phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline is C.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1.c1ccc(N(c2ccc(-c3ccc(N4c5ccccc5Cc5cc(N(c6ccccc6)c6cccc7ccccc67)ccc54)cc3)cc2)c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)cc1.

What is the InChIKey of methane;4-N-naphthalen-1-yl-1-N-[4-[4-[2-(N-naphthalen-1-ylanilino)-9H-acridin-10-yl]phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline?

The InChIKey is RKDPNVQFZHIUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H50N4.C60H44N2.CH4/c1-4-23-56(24-5-1)70(60-42-44-61(45-43-60)71(57-25-6-2-7-26-57)68-32-16-21-52-18-10-13-29-64(52)68)59-38-34-50(35-39-59)51-36-40-62(41-37-51)73-66-31-15-12-20-54(66)48-55-49-63(46-47-67(55)73)72(58-27-8-3-9-28-58)69-33-17-22-53-19-11-14-30-65(53)69;1-5-13-45(14-6-1)49-21-33-55(34-22-49)61(56-35-23-50(24-36-56)46-15-7-2-8-16-46)59-41-29-53(30-42-59)54-31-43-60(44-32-54)62(57-37-25-51(26-38-57)47-17-9-3-10-18-47)58-39-27-52(28-40-58)48-19-11-4-12-20-48;/h1-47,49H,48H2;1-44H;1H4.

What are the key properties of methane;4-N-naphthalen-1-yl-1-N-[4-[4-[2-(N-naphthalen-1-ylanilino)-9H-acridin-10-yl]phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline?

methane;4-N-naphthalen-1-yl-1-N-[4-[4-[2-(N-naphthalen-1-ylanilino)-9H-acridin-10-yl]phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline has a molecular weight of 1744.26 g/mol, XLogP of 37.04, 22 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methane;4-N-naphthalen-1-yl-1-N-[4-[4-[2-(N-naphthalen-1-ylanilino)-9H-acridin-10-yl]phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline is sourced from PubChem (CID 160648870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).